Structure of PDB 5hpj Chain A Binding Site BS01

Receptor Information
>5hpj Chain A (length=217) Species: 298386 (Photobacterium profundum SS9) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EWSYTGEHGTEHWGDSFATCAEGVNQTPIDINQTTQAELAPLHLDYEGQV
TELVNNGHTIQANLTGKNTLTVDGKTFELKQFHFHTPSENYLKGKQYPLE
AHFVHATDKGELAVVAVMFDFGPRSNNELTTLLASIPSKGQTVELKEALN
PADLLPRDREYYRFNGSLTTPPCSEGVRWFVMQEPQTSSKAQTEKLQAVM
GNNARPLQPLNARLILE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5hpj Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hpj A High-Resolution Crystal Structure of a Psychrohalophilic alpha-Carbonic Anhydrase from Photobacterium profundum Reveals a Unique Dimer Interface.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H96 H98 H115
Binding residue
(residue number reindexed from 1)		H83 H85 H102
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H71 H96 H98 E102 H115 T182
Catalytic site (residue number reindexed from 1) H58 H83 H85 E89 H102 T169
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5hpj, PDBe:5hpj, PDBj:5hpj
PDBsum5hpj
PubMed27936100
UniProtQ6LM17

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